[Pw_forum] Too many r-vectors?

[Eric Germaneau]

Dear QE users,

I recently my self consistent calculations have crashed (pw.x) with the
error "too many r-vectors".
I did not find the meaning and how to avoid it.
Well, I guess it has something to do with real space vectors but that's it.
So, I may need your light here.
Thank you,

?ric.
--
/Be the change you wish to see in the world
/ --- Mahatma Gandhi ---

Dr. ?ric Germaneau <mailto:germaneau at gucas.ac.cn>

College of Physical Sciences
Graduate University of Chinese Academy of Sciences
Yuquan Road 19A
Beijing 100049
China

/Please, if possible, don't send me MS Word or PowerPoint attachments
Why? See: http://www.gnu.org/philosophy/no-word-attachments.html /

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[Stefano de Gironcoli]

dear Eric Germanea
one place where this error can occur is in the calculation of the
direct ion-ion interaction.
the error means that the you have too many atoms (>50) in the
close neighborhood of some of your atoms. it's quite an unlikely
situation for a stable structure.
are you studying a system under extremely high pressure with a
very low cutoff ?

stefano
-
Stefano de Gironcoli - SISSA and DEMOCRITOS

Post by Eric Germaneau
Dear QE users,
I recently my self consistent calculations have crashed (pw.x) with the
error "too many r-vectors".
I did not find the meaning and how to avoid it.
Well, I guess it has something to do with real space vectors but that's it.
So, I may need your light here.
Thank you,
?ric.
--
/Be the change you wish to see in the world
/ --- Mahatma Gandhi ---
Dr. ?ric Germaneau <mailto:germaneau at gucas.ac.cn>
College of Physical Sciences
Graduate University of Chinese Academy of Sciences
Yuquan Road 19A
Beijing 100049
China
/Please, if possible, don't send me MS Word or PowerPoint attachments
Why? See: http://www.gnu.org/philosophy/no-word-attachments.html /

----------------------------------------------------------------
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[Eric Germaneau]

Dear stefano,

Well, I'm relaxing random structures actually.
So, what you said makes sense to me.
I have to avoid this citation.
Thank you,
Best,

?ric.

Post by Stefano de Gironcoli
dear Eric Germanea
one place where this error can occur is in the calculation of the
direct ion-ion interaction.
the error means that the you have too many atoms (>50) in the
close neighborhood of some of your atoms. it's quite an unlikely
situation for a stable structure.
are you studying a system under extremely high pressure with a
very low cutoff ?
stefano
-
Stefano de Gironcoli - SISSA and DEMOCRITOS

Post by Eric Germaneau
Dear QE users,
I recently my self consistent calculations have crashed (pw.x) with the
error "too many r-vectors".
I did not find the meaning and how to avoid it.
Well, I guess it has something to do with real space vectors but that's it.
So, I may need your light here.
Thank you,
?ric.
--
/Be the change you wish to see in the world
/ --- Mahatma Gandhi ---
Dr. ?ric Germaneau<mailto:germaneau at gucas.ac.cn>
College of Physical Sciences
Graduate University of Chinese Academy of Sciences
Yuquan Road 19A
Beijing 100049
China
/Please, if possible, don't send me MS Word or PowerPoint attachments
Why? See: http://www.gnu.org/philosophy/no-word-attachments.html /

----------------------------------------------------------------
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--
/Be the change you wish to see in the world
/ --- Mahatma Gandhi ---

Dr. ?ric Germaneau <mailto:germaneau at gucas.ac.cn>

College of Physical Sciences
Graduate University of Chinese Academy of Sciences
Yuquan Road 19A
Beijing 100049
China

/Please, if possible, don't send me MS Word or PowerPoint attachments
Why? See: http://www.gnu.org/philosophy/no-word-attachments.html /

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[Eric Germaneau]

Dear QE users,

I recently my self consistent calculations have crashed (pw.x) with the
error "too many r-vectors".
I did not find the meaning and how to avoid it.
Well, I guess it has something to do with real space vectors but that's it.
So, I may need your light here.
Thank you,

?ric.
--
/Be the change you wish to see in the world
/ --- Mahatma Gandhi ---

Dr. ?ric Germaneau <mailto:germaneau at gucas.ac.cn>

College of Physical Sciences
Graduate University of Chinese Academy of Sciences
Yuquan Road 19A
Beijing 100049
China

/Please, if possible, don't send me MS Word or PowerPoint attachments
Why? See: http://www.gnu.org/philosophy/no-word-attachments.html /

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[Stefano de Gironcoli]

dear Eric Germanea
one place where this error can occur is in the calculation of the
direct ion-ion interaction.
the error means that the you have too many atoms (>50) in the
close neighborhood of some of your atoms. it's quite an unlikely
situation for a stable structure.
are you studying a system under extremely high pressure with a
very low cutoff ?

stefano
-
Stefano de Gironcoli - SISSA and DEMOCRITOS

Post by Eric Germaneau
Dear QE users,
I recently my self consistent calculations have crashed (pw.x) with the
error "too many r-vectors".
I did not find the meaning and how to avoid it.
Well, I guess it has something to do with real space vectors but that's it.
So, I may need your light here.
Thank you,
?ric.
--
/Be the change you wish to see in the world
/ --- Mahatma Gandhi ---
Dr. ?ric Germaneau <mailto:germaneau at gucas.ac.cn>
College of Physical Sciences
Graduate University of Chinese Academy of Sciences
Yuquan Road 19A
Beijing 100049
China
/Please, if possible, don't send me MS Word or PowerPoint attachments
Why? See: http://www.gnu.org/philosophy/no-word-attachments.html /

----------------------------------------------------------------
SISSA Webmail https://webmail.sissa.it/
Powered by Horde http://www.horde.org/

[Eric Germaneau]

Dear stefano,

Well, I'm relaxing random structures actually.
So, what you said makes sense to me.
I have to avoid this citation.
Thank you,
Best,

?ric.

Post by Stefano de Gironcoli
dear Eric Germanea
one place where this error can occur is in the calculation of the
direct ion-ion interaction.
the error means that the you have too many atoms (>50) in the
close neighborhood of some of your atoms. it's quite an unlikely
situation for a stable structure.
are you studying a system under extremely high pressure with a
very low cutoff ?
stefano
-
Stefano de Gironcoli - SISSA and DEMOCRITOS

Post by Eric Germaneau
Dear QE users,
I recently my self consistent calculations have crashed (pw.x) with the
error "too many r-vectors".
I did not find the meaning and how to avoid it.
Well, I guess it has something to do with real space vectors but that's it.
So, I may need your light here.
Thank you,
?ric.
--
/Be the change you wish to see in the world
/ --- Mahatma Gandhi ---
Dr. ?ric Germaneau<mailto:germaneau at gucas.ac.cn>
College of Physical Sciences
Graduate University of Chinese Academy of Sciences
Yuquan Road 19A
Beijing 100049
China
/Please, if possible, don't send me MS Word or PowerPoint attachments
Why? See: http://www.gnu.org/philosophy/no-word-attachments.html /

----------------------------------------------------------------
SISSA Webmail https://webmail.sissa.it/
Powered by Horde http://www.horde.org/
_______________________________________________
Pw_forum mailing list
Pw_forum at pwscf.org
http://www.democritos.it/mailman/listinfo/pw_forum

--
/Be the change you wish to see in the world
/ --- Mahatma Gandhi ---

Dr. ?ric Germaneau <mailto:germaneau at gucas.ac.cn>

College of Physical Sciences
Graduate University of Chinese Academy of Sciences
Yuquan Road 19A
Beijing 100049
China

/Please, if possible, don't send me MS Word or PowerPoint attachments
Why? See: http://www.gnu.org/philosophy/no-word-attachments.html /

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